QFE
Summary
| Name: | (3~{R},4~{R})-~{N}4-[1-[2-(1-methylindol-4-yl)-3~{H}-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]oxane-3,4-diamine |
| Formula: | C23 H24 N8 O |
| Formal charge: | 0 |
| Formula weight: | 428.49 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{R},4~{R})-~{N}4-[1-[2-(1-methylindol-4-yl)-3~{H}-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]oxane-3,4-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C23H24N8O/c1-30-9-6-15-16(3-2-4-19(15)30)22-28-21-20(5-8-25-23(21)29-22)31-12-14(11-26-31)27-18-7-10-32-13-17(18)24/h2-6,8-9,11-12,17-18,27H,7,10,13,24H2,1H3,(H,25,28,29)/t17-,18+/m0/s1 |
| InChIKey | InChI | 1.03 | MXZJNQSPLXUEQL-ZWKOTPCHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1ccc2c1cccc2c3[nH]c4nccc(n5cc(N[C@@H]6CCOC[C@@H]6N)cn5)c4n3 |
| SMILES | CACTVS | 3.385 | Cn1ccc2c1cccc2c3[nH]c4nccc(n5cc(N[CH]6CCOC[CH]6N)cn5)c4n3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1ccc2c1cccc2c3[nH]c4c(n3)c(ccn4)n5cc(cn5)N[C@@H]6CCOC[C@@H]6N |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cn1ccc2c1cccc2c3[nH]c4c(n3)c(ccn4)n5cc(cn5)NC6CCOCC6N |
